LMST01010567 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 6.8943 7.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8788 5.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8718 5.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8852 7.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3952 8.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8933 7.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3855 6.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 6.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8863 7.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3941 8.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1120 12.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2180 12.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7580 11.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7580 10.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6429 12.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1032 12.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3332 12.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2180 11.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8729 12.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9881 11.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2180 10.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8159 10.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2406 8.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2406 9.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2449 11.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2449 10.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8154 9.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2113 8.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 6.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4209 8.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 7.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 8.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 7.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4209 6.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5380 9.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 9.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5468 7.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3163 10.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4381 7.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4209 10.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5468 8.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3033 7.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4294 9.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3206 8.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9261 9.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 6 1 1 1 0 0 7 2 1 6 0 0 8 3 1 1 0 0 9 4 1 6 0 0 31 1 1 1 0 0 0 32 45 1 1 0 0 16 11 1 6 0 0 18 12 1 1 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 18 17 1 6 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 16 20 1 0 0 0 0 18 16 1 0 0 0 0 21 18 1 0 0 0 0 21 22 1 6 0 0 0 24 23 1 6 0 0 0 26 25 1 1 0 0 0 28 27 1 0 0 0 0 21 27 1 0 0 0 0 24 28 1 0 0 0 0 26 24 1 0 0 0 0 21 26 1 0 0 0 0 32 31 1 0 0 0 0 33 31 1 0 0 0 0 36 32 1 0 0 0 0 37 29 1 1 0 0 0 37 33 1 0 0 0 0 39 37 1 0 0 0 0 39 34 2 0 0 0 0 40 38 1 0 0 0 0 41 35 1 1 0 0 0 41 36 1 0 0 0 0 41 37 1 0 0 0 0 26 38 1 0 0 0 0 42 39 1 0 0 0 0 43 30 1 6 0 0 0 43 40 1 0 0 0 0 43 41 1 0 0 0 0 44 42 2 0 0 0 0 44 43 1 0 0 0 0 44 24 1 0 0 0 0 M END > LMST01010567 > Limnantheoside B > 3-O-(beta-D-Xylopyranosyl)-2beta,3beta,14alpha,20R,22R-tetrahydroxy-5beta-cholest-7-en-6-one > C32H52O10 > 596.36 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > ponasterone A-3-beta-d-xylopyranoside > YVYGCJBVFDRKJN-FSTURXHNSA-N > InChI=1S/C32H52O10/c1-16(2)6-7-25(36)31(5,39)24-9-11-32(40)18-12-20(33)19-13-23(42-28-27(38)26(37)22(35)15-41-28)21(34)14-29(19,3)17(18)8-10-30(24,32)4/h12,16-17,19,21-28,34-40H,6-11,13-15H2,1-5H3/t17-,19-,21-,22+,23+,24-,25+,26-,27+,28-,29+,30+,31+,32+/m0/s1 > O([C@@H]1C[C@@]2([C@@]([C@@]3(C([C@]4([C@](CC3)([C@@](CC4)([H])[C@@]([C@@H](CCC(C)C)O)(C)O)C)O)=CC2=O)[H])(C[C@@H]1O)C)[H])[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO1 > - > - > - > - > - > - > 102064901 > - > - > - > - > - > 28973 > - $$$$